(4S)-6-Chloro-4-(Cyclopropylethynyl)-8-Hydroxy-4-(Trifluoromethyl)-1,4-Dihydro-2H-3,1-Benzoxazin-2-One

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Formula C14H9ClF3NO3
IUPAC Name (4s)-6-chloro-4-(2-cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1h-3,1-benzoxazin-2-one
Molecular Mass 331.674 g·mol−1
Heat of Formation -791.1 ± 16.7 kJ·mol−1
Dipole Moment 4.89 ± 1.08 D
Volume 335.89 Å 3
Surface Area 301.2 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-6-chloro-4-(2-cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1h-3,1-benzoxazin-2-one
  • 2h-3,1-benzoxazin-2-one, 6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-, (4s)-
InChIKey OOVOMPCQLMFEDT-ZDUSSCGKSA-N
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Elements C F H Cl O N